CHEBI:115763 - 1-[(5R,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(5R,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
ChEBI ID CHEBI:115763
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H36N4O4
Net Charge 0
Average Mass 420.546
Monoisotopic Mass 420.27366
InChI InChI=1S/C22H36N4O4/c1-7-10-23-22(28)24-17-8-9-18-19(11-17)30-14-16(3)25(4)12-15(2)20(29-6)13-26(5)21(18)27/h8-9,11,15-16,20H,7,10,12-14H2,1-6H3,(H2,23,24,28)/t15-,16-,20-/m0/s1
InChIKey KXQBGTLFJGTYSJ-FTRWYGJKSA-N
SMILES CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@H](CO2)C)C)C)OC)C
ChEBI Ontology
Outgoing 1-[(5R,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea (CHEBI:115763) is a azamacrocycle (CHEBI:52898)
1-[(5R,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea (CHEBI:115763) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-27220 LINCS
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